The electronic structure of PtCl2−4; an SCF—Xα study

Barber, M.; Clark, J.D.; Hinchliffe, Alan

doi:10.1016/0022-2860(79)80256-2

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1980

1984

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“…The use of a non-relativistic theory may at first sight seem inappropriate for atoms with large spin-orbit (relativistic) parameters : SCF-X~ calculations have however been reported for UF 6- [6], PtF 6 and the hexafluoride of element 110 [7] for PtC14 2-and Pt(NH3)2C12 [8]; in the latter two cases, where direct comparison of the calculated ionization energies with exPerimental photoelectron results was possible for the valence levels, extremely good agreement was obtained. Moskowitz et al [6] report negligible differences in valence orbitals for such atoms when calculated at the relativistic X~ or non-relativistic X~ levels.…”

Section: Introductionmentioning

confidence: 99%